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1;ASTERYUNNANOSIDE-H;3-O-BETA-D-GLUCOPYRANOSYL-ECHINOCYSTIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]

Compound with spectra: 1 NMR

1;ASTERYUNNANOSIDE-H;3-O-BETA-D-GLUCOPYRANOSYL-ECHINOCYSTIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]
SpectraBase Compound ID 1eIK8LZJsP0
InChI InChI=1S/C62H100O29/c1-24-46(87-52-44(77)47(30(67)23-82-52)88-50-41(74)36(69)27(64)20-80-50)48(89-51-42(75)37(70)28(65)21-81-51)45(78)54(84-24)90-49-38(71)29(66)22-83-55(49)91-56(79)62-16-15-57(2,3)17-26(62)25-9-10-33-59(6)13-12-35(86-53-43(76)40(73)39(72)31(19-63)85-53)58(4,5)32(59)11-14-60(33,7)61(25,8)18-34(62)68/h9,24,26-55,63-78H,10-23H2,1-8H3/t24-,26?,27+,28-,29+,30+,31+,32?,33?,34?,35-,36-,37-,38-,39+,40-,41+,42+,43+,44+,45+,46-,47-,48-,49+,50-,51-,52-,53-,54-,55-,59-,60-,61?,62?/m0/s1
InChIKey ROHKBMYXUZLELX-NDUZITPUSA-N
Mol Weight 1309.5 g/mol
Molecular Formula C62H100O29
Exact Mass 1308.635027 g/mol
Enantiomer InChIKey ROHKBMYXUZLELX-HLDFTVDNSA-N

View Spectrum of 1;ASTERYUNNANOSIDE-H;3-O-BETA-D-GLUCOPYRANOSYL-ECHINOCYSTIC-ACID-28-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-XYLOPYRANOSYL-(1->4)-[ALPHA-L-ARABINOPYRANOSYL-(1->3)]

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent PYRIDINE-D5
2-Propenoic acid, 3-phenyl-, 1,1a,1b,1c,2a,3,3a,4,6a,6b,7,8-dodecahydro-3a,6b-dihydroxy-1,1,5,7-tetramethyl-4-oxo-2a-[[(1-oxo-3-phenyl-2-propenyl)oxy]methyl]-8aH-cyclopropa[5',6']benz[1',2':7,8]az uleno[5,6-b]oxirene-8,8a-diyl ester, [1aR-(1a.alpha.,1b.beta.,1c.beta.,2a.beta.,3a.beta.,6a.alpha.,6b.alpha.,7.alpha.,8.beta.,8a.alpha.)]-
6H,13H-5,13:6,12-Dietheno-5a,12a-(methaniminomethano)-1H,5H,8H,12H-[1,2,4]triazolo[1,2-a][1,2,4]triazolo[1',2':1,2]pyridazino[4,5-d]pyridazine-18-acetic acid, 2,3,9,10-tetrahydro-.alpha.-(2-methylpropyl)-1,3,8,10,17,19-hexaoxo-2,9-diphenyl-, hexyl ester, stereoisomer
13',16':18',21'-dietheno-1,1''-diethyl-3',14',20',31'-tetramethyldispiro[piperidine-4,17'-[5,12,22,29]tetraoxa[37,40,41]triazatetracyclo[31.13.1.0.(4,45).0(30,35)]heptatetraconta-1',3',13',15',18',20',30',34',35',45'-decaene-47',4''-piperidine]-38',42'-dione
Methyl 2.beta.-(2'-(m-isopropyl-phenyl)ethyl)-1.beta.,3.alpha.-dimethyl-cyclohexanecarboxylate (so name and structure in Anderson & Botto) but MS (intense fragement at m/z = 187) and RT suggest 2.alpha.-epimer instead, with Reg. No. 19556-80-0? a methyl seco-dehydro-abietate
4H-9,12:15,18-Dietheno-28,31-imino-26,23-methenopyrrolo[2,3-n][1,19,6]dioxaazacyclohentriacontine-6,21,24(5H,22H,25H)-trione, 30-ethyl-2-[(3-ethyl-1,5-dihydro-4-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-8,13,14,19-tetrahydro-3,29,34-trimethyl-, (Z,Z,Z)-
Cobalt, bis(cyano-C)(8,11-diethyl-2,3,3a,7,8,9,10,11,12,16,17,20a-dodecahydro-3a,5,8,9,12,14,17,17-octamethyl-7,12,16,20a-tetrapropyl-10,13-imino-4,20:9,16:18,15-trinitrilo-6H-cyclononadeca[b]furanato-N21,N22,N23,N24)-, stereoisomer
6H,10H,16H,18H,32H,34H-5,9:17,21-Dimethano-11,15-metheno-1,25[1',3']-pyrimidino-5H,27H-dibenzo[b,u][1,23,4,8,16,20]dioxatetraazacyclohexa cosine-32,37,39-trione, 7,8,19,20,28,29,35,36-octahydro-38-methoxy-13-methyl-
1,6-Dioxaspiro[4.5]decane-7-hexanoic acid, 2-[5-ethyltetrahydro-5-[tetrahydro-3-methyl-5-[tetrahydro-6-(hydroxym ethyl)-3,5-dimethyl-2H-pyran-2-yl]-2-furyl]-2-furyl]-9-hydroxy-.delta.-methoxy-.epsilon.,2,8-trimethyl-, methyl ester, diacetate
(2S,5S*,7S*,9S,1-S,12R,13Z,15R)-2-[(2R,5R,6S)-5-Benzyloxy-5-ethyl-6-methyltetrahydropyran-2-yl]-9-[(R)-1-ethyl-2-oxobutyl]-15-(4-methoxybenzyloxy)-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.3.5]pentadec-13-ene
Dispiro[piperidine-4,2'-[7,14,24,31]tetraoxapentacyclo[30.2.2.23,6.215,18.220,23]dotetraconta[3,5,15,17,20,22,32,34,35,37,39,41]dodecaen e-19',4''-piperidine], 1,1''-diacetyl-5',33'-dibromo-16',22',36',37',40',41'-hexamethyl-
Title Journal or Book Year
Echinocystic Acid Saponins from Aster yunnanensis Journal of Natural Products 1995
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